Table 5 Predicted best interaction for Modeled TPP using Autodock 4.2
Plant | Inhibitor/drugs with best interaction | Binding energy—δG (kcal/mole) |
|---|---|---|
Ribes nigrum | Rutin | − 7.0 |
Carica papaya | Carpaine | − 6.5 |
Ocimum basilicum | Caryophyllene | − 6.2 |
Aegle mermelos | Stigmasterol | − 6.0 |
Costus igneus | α-eudesmol | − 5.4 |
Drugs | Ampicillin (antibacterial) | − 5.3 |
Fluconazole (antifungal) | − 5.2 | |
Isoniazid (antimycobacterial) | − 4.6 |